(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C93H93N39O6S2 — CID 159696453

IUPAC(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-n3cccc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12
InChIInChI=1S/C20H22N8OS.C19H18N8O.C18H18N8O2.C18H18N8OS.C18H17N7O/c1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-11-15(25-19(28)22-11)7-12-9-21-27-17(24-13-4-5-13)8-16(26-18(12)27)23-14-3-2-6-20-10-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13;1-11-14(22-18(26)20-11)8-12-10-19-25-16(21-13-4-5-13)9-15(23-17(12)25)24-6-2-3-7-24/h6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);2-3,6-10,13,24H,1,4-5H2,(H,23,26)(H2,22,25,28);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27);2-3,6-10,13,21H,1,4-5H2,(H2,20,22,26)/b14-6-;15-7-;2*13-5-;14-8-
InChIKeyMXBMQFACLQUXCU-SNOGBRJNSA-N
MW1917.17 g/mol
LogP4.60
Rot. Bonds25

About (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 159696453) has the molecular formula C93H93N39O6S2 and a molecular weight of 1917.17 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
PubChem CID159696453
Molecular FormulaC93H93N39O6S2
Molecular Weight1917.17 g/mol
Exact Mass1915.76
IUPAC Name(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-n3cccc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12
InChIInChI=1S/C20H22N8OS.C19H18N8O.C18H18N8O2.C18H18N8OS.C18H17N7O/c1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-11-15(25-19(28)22-11)7-12-9-21-27-17(24-13-4-5-13)8-16(26-18(12)27)23-14-3-2-6-20-10-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13;1-11-14(22-18(26)20-11)8-12-10-19-25-16(21-13-4-5-13)9-15(23-17(12)25)24-6-2-3-7-24/h6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);2-3,6-10,13,24H,1,4-5H2,(H,23,26)(H2,22,25,28);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27);2-3,6-10,13,21H,1,4-5H2,(H2,20,22,26)/b14-6-;15-7-;2*13-5-;14-8-
InChIKeyMXBMQFACLQUXCU-SNOGBRJNSA-N
XLogP4.60
TPSA572.10 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.17
LogP ≤ 54.60
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Analyze (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-5-ethyl-1,3,4-thiadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrimidin-4-amine;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;2,5-dimethyl-1,3,4-oxadiazole;2,4-dimethyl-1,3-oxazole;4-ethyl-2-methyl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-6-(trifluoromethyl)pyridine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;5-methyl-1,3,4-thiadiazol-2-amine;(2-methyl-1,3-thiazol-5-yl)methanamine;2-methyl-6-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine;2-methyl-5-(trifluoromethyl)pyrimidine;2,4,5-trimethyl-1,3-oxazole
CID 161527158
(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157190014
(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157489256
methylcyclopropane;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157715772
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,3-oxazole;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;3,4,5-trimethyl-1,2,4-triazole
CID 159174734
1-Propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159192000
1-Propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridazine;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159485207
7H-cyclopenta[b]pyridine;7H-cyclopenta[c]pyridazine;7H-cyclopenta[d]pyrimidine;1-cyclopropyl-6-methylpyrazolo[5,4-b]pyridine;1-cyclopropyl-6-methylpyrrolo[2,3-b]pyridine;1-cyclopropylpyrazolo[5,4-b]pyridine;1-cyclopropylpyrrolo[2,3-b]pyridine;7-cyclopropylpyrrolo[2,3-c]pyridazine;1,6-dimethylpyrazolo[5,4-b]pyridine;1,6-dimethylpyrrolo[2,3-b]pyridine;2-methyl-7H-cyclopenta[b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyrazine;1-methylpyrazolo[5,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;2-methyl-7H-pyrrolo[3,4-b]pyridine;7-methylpyrrolo[2,3-c]pyridazine;5-methyl-[1,3]thiazolo[4,5-b]pyrazine;[1,3]oxazolo[4,5-b]pyrazine;7H-pyrrolo[3,4-b]pyridine
CID 160608847
1,2-Dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160653083
1,2-Dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160990208
2-tert-butyl-5H-cyclopenta[b]pyridine;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 161394262

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 159696453) is (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-n3cccc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12.
What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is MXBMQFACLQUXCU-SNOGBRJNSA-N. The full InChI is InChI=1S/C20H22N8OS.C19H18N8O.C18H18N8O2.C18H18N8OS.C18H17N7O/c1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-11-15(25-19(28)22-11)7-12-9-21-27-17(24-13-4-5-13)8-16(26-18(12)27)23-14-3-2-6-20-10-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13;1-11-14(22-18(26)20-11)8-12-10-19-25-16(21-13-4-5-13)9-15(23-17(12)25)24-6-2-3-7-24/h6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);2-3,6-10,13,24H,1,4-5H2,(H,23,26)(H2,22,25,28);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27);2-3,6-10,13,21H,1,4-5H2,(H2,20,22,26)/b14-6-;15-7-;2*13-5-;14-8-.
What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 1917.17 g/mol, XLogP of 4.60, 25 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 159696453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).